(3Z)-3-[(2-nitrophenyl)methylidene]-2-phenylchromen-4-one
Formula:C22H15NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[(2-nitrophenyl)methylidene]-2-phenylchromen-4-one is a drug-like molecule.
| MolName | (3Z)-3-[(2-nitrophenyl)methylidene]-2-phenylchromen-4-one |
| MolecularFormula | C22H15NO4 |
| Smiles | [O-][N+](c1c(/C=C(/C(c2ccccc2)Oc2c3cccc2)\C3=O)cccc1)=O |
| InChI | InChI=1S/C22H15NO4/c24-21-17-11-5-7-13-20(17)27-22(15-8-2-1-3-9-15)18(21)14-16-10-4-6-12-19(16)23(25)26/h1-14,22H/t22-/m1/s1 |
| InChIK | OUPIYWLOWVJIGA-JOCHJYFZSA-N |
| TotalMolweight | 357.364 |
| Molweight | 357.364 |
| MonoisotopicMass | 357.100109 |
| CLogP | 4.0184 |
| CLogS | -5.382 |
| H Acceptors | 5 |
| TotalSurfaceArea | 267.91 |
| Relative PSA | 0.19954 |
| PolarSurfaceArea | 72.12 |
| Druglikeness | -4.4189 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.40741 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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